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CHEBI:225378 - Penerpene E

ChEBI IDCHEBI:225378
ChEBI NamePenerpene E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO5
Net Charge0
Average Mass451.563
Monoisotopic Mass451.23587
SMILESCC1(C)O[C@H]2[C@@H]3C(=O)CC[C@]4(C)[C@@]5(C)c6nc7ccccc7c6C[C@@H]5CC[C@@]34O[C@@]2(O)[C@@H]1O
InChIInChI=1S/C27H33NO5/c1-23(2)22(30)27(31)21(32-23)19-18(29)10-11-24(3)25(4)14(9-12-26(19,24)33-27)13-16-15-7-5-6-8-17(15)28-20(16)25/h5-8,14,19,21-22,28,30-31H,9-13H2,1-4H3/t14-,19-,21-,22+,24+,25+,26+,27+/m0/s1
InChIKeyWNFRKMDAAWKQEQ-DAICJADXSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31469560)
ChEBI Ontology
Outgoing Relation(s)
Penerpene E (CHEBI:225378) is a indoles (CHEBI:24828)
IUPAC Name 
(1R,4S,15S,16R,20S,21S,24R,25S)-24,25-dihydroxy-15,16,23,23-tetramethyl-22,26-dioxa-13-azaheptacyclo[14.10.0.01,20.04,15.06,14.07,12.021,25]hexacosa-6(14),7,9,11-tetraen-19-one
Manual XrefsDatabases
81360786ChemSpider